1-(2,4-diiodophenoxy)butan-2-ol

C10H12I2O2 — CID 22313365

IUPAC1-(2,4-diiodophenoxy)butan-2-ol
SMILESCCC(O)COc1ccc(I)cc1I
InChIInChI=1S/C10H12I2O2/c1-2-8(13)6-14-10-4-3-7(11)5-9(10)12/h3-5,8,13H,2,6H2,1H3
InChIKeyFLLCJSALZSCICW-UHFFFAOYSA-N
MW418.01 g/mol
LogP3.05
Rot. Bonds4

About 1-(2,4-diiodophenoxy)butan-2-ol

1-(2,4-diiodophenoxy)butan-2-ol (PubChem CID 22313365) has the molecular formula C10H12I2O2 and a molecular weight of 418.01 g/mol. Its IUPAC name is 1-(2,4-diiodophenoxy)butan-2-ol.

Molecular Properties

Compound Name1-(2,4-diiodophenoxy)butan-2-ol
PubChem CID22313365
Molecular FormulaC10H12I2O2
Molecular Weight418.01 g/mol
Exact Mass417.89
IUPAC Name1-(2,4-diiodophenoxy)butan-2-ol
SMILESCCC(O)COc1ccc(I)cc1I
InChIInChI=1S/C10H12I2O2/c1-2-8(13)6-14-10-4-3-7(11)5-9(10)12/h3-5,8,13H,2,6H2,1H3
InChIKeyFLLCJSALZSCICW-UHFFFAOYSA-N
XLogP3.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.01
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromo-4-fluorophenoxy)butan-2-ol
CID 60880483
1-(2-ethoxyphenoxy)butan-2-ol
CID 60878017
2-(2-hydroxybutoxy)phenol
CID 58593134
1-(4-bromo-2-chlorophenoxy)butan-2-ol
CID 60878201
1-(2-bromo-4-chlorophenoxy)butan-2-ol
CID 60880670
1-[4-fluoro-2-(hydroxymethyl)phenoxy]butan-2-ol
CID 107698659
1-[2-(aminomethyl)-4-methylphenoxy]butan-2-ol
CID 63322818
1-(2-fluoro-5-methylphenoxy)butan-2-ol
CID 64854416
1-[2-amino-4-(methyldiazenyl)phenoxy]butan-2-ol
CID 19098775
1-[2-(hydroxymethyl)-4-methoxyphenoxy]butan-2-ol
CID 60886437
1-(2-tert-butyl-4-methoxyphenoxy)butan-2-ol
CID 60879729
4-(2-hydroxybutoxy)-3-(trifluoromethyl)benzoic acid
CID 63320571

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-diiodophenoxy)butan-2-ol?
The IUPAC name of 1-(2,4-diiodophenoxy)butan-2-ol (CID 22313365) is 1-(2,4-diiodophenoxy)butan-2-ol.
What is the SMILES notation for 1-(2,4-diiodophenoxy)butan-2-ol?
The canonical SMILES for 1-(2,4-diiodophenoxy)butan-2-ol is CCC(O)COc1ccc(I)cc1I.
What is the InChIKey of 1-(2,4-diiodophenoxy)butan-2-ol?
The InChIKey is FLLCJSALZSCICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12I2O2/c1-2-8(13)6-14-10-4-3-7(11)5-9(10)12/h3-5,8,13H,2,6H2,1H3.
What are the key properties of 1-(2,4-diiodophenoxy)butan-2-ol?
1-(2,4-diiodophenoxy)butan-2-ol has a molecular weight of 418.01 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-diiodophenoxy)butan-2-ol is sourced from PubChem (CID 22313365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).